3-[[2-(ethylamino)pyrimidin-4-yl]amino]propanamide

C9H15N5O — CID 80787264

IUPAC3-[[2-(ethylamino)pyrimidin-4-yl]amino]propanamide
SMILESCCNc1nccc(NCCC(N)=O)n1
InChIInChI=1S/C9H15N5O/c1-2-11-9-13-6-4-8(14-9)12-5-3-7(10)15/h4,6H,2-3,5H2,1H3,(H2,10,15)(H2,11,12,13,14)
InChIKeyYZRAKCUAYIEXCS-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.20
Rot. Bonds6

About 3-[[2-(ethylamino)pyrimidin-4-yl]amino]propanamide

3-[[2-(ethylamino)pyrimidin-4-yl]amino]propanamide (PubChem CID 80787264) has the molecular formula C9H15N5O and a molecular weight of 209.25 g/mol. Its IUPAC name is 3-[[2-(ethylamino)pyrimidin-4-yl]amino]propanamide.

Molecular Properties

Compound Name3-[[2-(ethylamino)pyrimidin-4-yl]amino]propanamide
PubChem CID80787264
Molecular FormulaC9H15N5O
Molecular Weight209.25 g/mol
Exact Mass209.13
IUPAC Name3-[[2-(ethylamino)pyrimidin-4-yl]amino]propanamide
SMILESCCNc1nccc(NCCC(N)=O)n1
InChIInChI=1S/C9H15N5O/c1-2-11-9-13-6-4-8(14-9)12-5-3-7(10)15/h4,6H,2-3,5H2,1H3,(H2,10,15)(H2,11,12,13,14)
InChIKeyYZRAKCUAYIEXCS-UHFFFAOYSA-N
XLogP0.20
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[2-(methylamino)pyrimidin-4-yl]amino]propanamide
CID 80787004
N-cyclopropyl-3-[[2-(ethylamino)pyrimidin-4-yl]amino]propanamide
CID 80849792
2-[[2-(ethylamino)pyrimidin-4-yl]amino]ethanesulfonamide
CID 80788132
3-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]propanamide
CID 80787003
2-N-ethyl-4-N-octylpyrimidine-2,4-diamine
CID 113336790
N,N-dimethyl-3-[[2-(propylamino)pyrimidin-4-yl]amino]propanamide
CID 80813999
4-N-(2-ethoxyethyl)-2-N-ethylpyrimidine-2,4-diamine
CID 80792749
3-[[6-(ethylamino)pyrimidin-4-yl]amino]propanamide
CID 80786995
2-N-ethyl-4-N-(2-pyrazol-1-ylethyl)pyrimidine-2,4-diamine
CID 80809040
1-[[2-(ethylamino)pyrimidin-4-yl]amino]propan-2-ol
CID 80779056
3-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]propanamide
CID 80933202
2-N-ethyl-4-N-(2-pyrrolidin-1-ylethyl)pyrimidine-2,4-diamine
CID 80833263

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(ethylamino)pyrimidin-4-yl]amino]propanamide?
The IUPAC name of 3-[[2-(ethylamino)pyrimidin-4-yl]amino]propanamide (CID 80787264) is 3-[[2-(ethylamino)pyrimidin-4-yl]amino]propanamide.
What is the SMILES notation for 3-[[2-(ethylamino)pyrimidin-4-yl]amino]propanamide?
The canonical SMILES for 3-[[2-(ethylamino)pyrimidin-4-yl]amino]propanamide is CCNc1nccc(NCCC(N)=O)n1.
What is the InChIKey of 3-[[2-(ethylamino)pyrimidin-4-yl]amino]propanamide?
The InChIKey is YZRAKCUAYIEXCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O/c1-2-11-9-13-6-4-8(14-9)12-5-3-7(10)15/h4,6H,2-3,5H2,1H3,(H2,10,15)(H2,11,12,13,14).
What are the key properties of 3-[[2-(ethylamino)pyrimidin-4-yl]amino]propanamide?
3-[[2-(ethylamino)pyrimidin-4-yl]amino]propanamide has a molecular weight of 209.25 g/mol, XLogP of 0.20, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(ethylamino)pyrimidin-4-yl]amino]propanamide is sourced from PubChem (CID 80787264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).